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m-Anisic acid, oct-3-en-2-yl ester
SpectraBase Compound ID 9Bnf8SAfW8F
InChI InChI=1S/C16H22O3/c1-4-5-6-7-9-13(2)19-16(17)14-10-8-11-15(12-14)18-3/h7-13H,4-6H2,1-3H3/b9-7+
InChIKey ILFVQCDACZZNIV-VQHVLOKHSA-N
Mol Weight 262.35 g/mol
Molecular Formula C16H22O3
Exact Mass 262.156895 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IWWmKHlnYNs
Name m-Anisic acid, oct-3-en-2-yl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 262.156894565 u
Formula C16H22O3
InChI InChI=1S/C16H22O3/c1-4-5-6-7-9-13(2)19-16(17)14-10-8-11-15(12-14)18-3/h7-13H,4-6H2,1-3H3/b9-7+
InChIKey ILFVQCDACZZNIV-VQHVLOKHSA-N
Molecular Weight 262.349 g/mol
SMILES C(=O)(OC(\C=C\CCCC)C)C=1C=C(OC)C=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.979111